5-ethyl-2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-ethyl-2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 5-ethyl-2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 5-ethyl-2-[[2-(4-ethylanilino)-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-ethyl-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 5-ethyl-2-[[2-(4-ethylanilino)-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C17H20N3O2S- MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=N2)[O-])CC)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=N2)[O-])CC)C

InChI

InChI=1S/C17H21N3O2S/c1-4-12-6-8-13(9-7-12)19-15(21)10-23-17-18-11(3)14(5-2)16(22)20-17/h6-9H,4-5,10H2,1-3H3,(H,19,21)(H,18,20,22)/p-1